COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.537  -1.153  -0.072  1.00  0.00           C  
HETATM    2  C   UNL     1       5.825  -2.346  -0.006  1.00  0.00           C  
HETATM    3  C   UNL     1       4.464  -2.354   0.048  1.00  0.00           C  
HETATM    4  C   UNL     1       3.752  -1.141   0.038  1.00  0.00           C  
HETATM    5  C   UNL     1       4.469   0.081  -0.028  1.00  0.00           C  
HETATM    6  C   UNL     1       5.878   0.059  -0.083  1.00  0.00           C  
HETATM    7  N   UNL     1       2.419  -1.131   0.090  1.00  0.00           N  
HETATM    8  C   UNL     1       1.735   0.003   0.082  1.00  0.00           C  
HETATM    9  C   UNL     1       2.397   1.240   0.017  1.00  0.00           C  
HETATM   10  C   UNL     1       3.756   1.294  -0.037  1.00  0.00           C  
HETATM   11  C   UNL     1       0.277   0.261   0.130  1.00  0.00           C  
HETATM   12  N   UNL     1       0.043   1.606   0.097  1.00  0.00           N  
HETATM   13  C   UNL     1       1.332   2.306   0.025  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.782  -0.622   0.198  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.093  -0.139   0.233  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.312   1.208   0.199  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.217   2.086   0.130  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.408   3.291   0.100  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.718   1.749   0.236  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.254  -1.096   0.307  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.029  -1.047  -0.985  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.498  -0.449  -2.063  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.127  -1.547  -1.050  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.766  -2.422   0.520  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.170  -0.698   1.466  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.589  -1.202   1.191  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.622   0.760  -0.260  1.00  0.00           O  
HETATM   28  N   UNL     1       6.597   1.250  -0.149  1.00  0.00           N  
HETATM   29  H   UNL     1       7.616  -1.176  -0.110  1.00  0.00           H  
HETATM   30  H   UNL     1       6.361  -3.284   0.002  1.00  0.00           H  
HETATM   31  H   UNL     1       3.932  -3.292   0.098  1.00  0.00           H  
HETATM   32  H   UNL     1       4.273   2.241  -0.087  1.00  0.00           H  
HETATM   33  H   UNL     1       1.456   2.952   0.894  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.597  -1.686   0.224  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.984   2.001   1.263  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.780   2.642  -0.386  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.033  -0.443  -2.869  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.363  -2.559   1.388  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.800  -1.142   2.391  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.183   0.387   1.563  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.241  -0.919   2.017  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.959  -0.759   0.267  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.576  -2.288   1.094  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.555   0.990  -0.153  1.00  0.00           H  
HETATM   45  H   UNL     1       7.566   1.229  -0.187  1.00  0.00           H  
HETATM   46  H   UNL     1       6.129   2.099  -0.156  1.00  0.00           H  
HETATM   47  H   UNL     1       1.387   2.896  -0.890  1.00  0.00           H  
CONECT    1    2    2    6   29                                       
CONECT    2    1    1    3   30                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5    7                                       
CONECT    5    6    6    4   10                                       
CONECT    6    1   28    5    5                                       
CONECT    7    4    8    8                                            
CONECT    8    7    7    9   11                                       
CONECT    9   10   10    8   13                                       
CONECT   10    5    9    9   32                                       
CONECT   11    8   12   14   14                                       
CONECT   12   13   11   17                                            
CONECT   13    9   12   33   47                                       
CONECT   14   11   11   15   34                                       
CONECT   15   14   16   16   20                                       
CONECT   16   17   15   15   19                                       
CONECT   17   12   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   16   27   35   36                                       
CONECT   20   15   25   21   24                                       
CONECT   21   23   23   20   22                                       
CONECT   22   21   37                                                 
CONECT   23   21   21                                                 
CONECT   24   20   38                                                 
CONECT   25   26   20   39   40                                       
CONECT   26   25   41   42   43                                       
CONECT   27   19   44                                                 
CONECT   28    6   45   46                                            
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32   10                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   19                                                      
CONECT   36   19                                                      
CONECT   37   22                                                      
CONECT   38   24                                                      
CONECT   39   25                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
CONECT   42   26                                                      
CONECT   43   26                                                      
CONECT   44   27                                                      
CONECT   45   28                                                      
CONECT   46   28                                                      
CONECT   47   13                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
